Data DOI: 10.15785/SBGRID/277 | ID: 277
Publication DOI: 10.1021/bi300957f
4EU9 Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Kappock Laboratory, Purdue University
Release Date: 27 May 2016
1. If this dataset is locally available, it should be accessable at /programs/datagrid/277
2. To download this dataset, please run the following command from your Terminal on a Linux or OS X workstation:
'rsync -av rsync://data.sbgrid.org/10.15785/SBGRID/277 .' (Harvard Medical School, USA)
Depending on your location, faster access may be available from a Tier 1 site closer to your location
'rsync -av rsync://sbgrid.icm.uu.se/10.15785/SBGRID/277 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/277 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/277 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 277 ; shasum -c files.sha'
Storage requirements: 6.4G
Biological Sample:
succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18). R228E mutant with covalent adduct and bound CoA
Dataset Type:
X-Ray Diffraction
Subject Composition:
Ligand, Protein
Collection Facility:
beamline 21-ID-F, LS-CAT, APS, Chicago, IL
Data Creation Date:
23 Jul 2011
Related Datasets:
None
Mullins, EA.; Kappock, T. 2016. "X-Ray Diffraction data for: succinyl-CoA:acetate CoA-transferase (EC 2.8.3.18). R228E mutant with covalent adduct and bound CoA. PDB Code 4EU9", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/277.
Succinyl-CoA:acetate CoA-transferase (AarCH6-R228E) in complex with CoA and a covalent glutamyl-CoA thioester adduct
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Elwood A. Mullins | Data Collector | Purdue University |
| T. Joseph Kappock | Depositor, PI | Purdue University |
none
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/277/aarch6_90.###
Images:
1 - 360
Beam:
(111.44, 112.09) -> (111.44, 111.99)
Distance:
120.0 -> 120.15
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.22 | 3.31 | 1.22 |
| Low resolution limit | 58.54 | 58.61 | 1.24 |
| Completeness | 99.4 | 100.0 | 91.7 |
| Multiplicity | 13.2 | 13.9 | 6.1 |
| I/sigma | 15.8 | 68.4 | 0.8 |
| Rmerge | 0.09 | 0.027 | 1.937 |
| CC half | 1.0 | 1.0 | 0.327 |
| Anomalous completeness | 99.3 | 99.9 | 90.7 |
| Anomalous multiplicity | 6.8 | 6.8 | 6.8 |
| Cell | 67.09 | 110.12 | 119.85 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/277/aarch6_90.###
Images:
1 - 360
Beam:
(111.44, 112.09) -> (111.44, 111.99)
Distance:
120.0 -> 120.15
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.22 | 3.31 | 1.22 |
| Low resolution limit | 58.54 | 58.61 | 1.24 |
| Completeness | 99.4 | 100.0 | 91.7 |
| Multiplicity | 13.2 | 13.9 | 6.1 |
| I/sigma | 15.8 | 68.4 | 0.8 |
| Rmerge | 0.09 | 0.027 | 1.937 |
| CC half | 1.0 | 1.0 | 0.326 |
| Anomalous completeness | 99.3 | 99.9 | 90.7 |
| Anomalous multiplicity | 6.8 | 6.8 | 6.8 |
| Cell | 67.09 | 110.12 | 119.85 | 90.0 | 90.0 | 90.0 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 0.97872
Sweep:
SWEEP1
Files:
/programs/datagrid/277/aarch6_90.###
Images:
1 - 360
Beam:
(111.44, 112.09) -> (111.44, 112.06)
Distance:
120.0 -> 120.11
Spacegroup:
P 21 21 21
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.18 | 3.2 | 1.18 |
| Low resolution limit | 59.89 | 59.97 | 1.2 |
| Completeness | 97.4 | 100.0 | 73.3 |
| Multiplicity | 12.5 | 14.6 | 4.5 |
| I/sigma | 5.9 | 43.2 | 7.8 |
| Rmerge | 0.234 | 0.053 | 0.934 |
| CC half | 0.718 | 0.998 | 0.597 |
| Anomalous completeness | 97.2 | 100.0 | 72.5 |
| Anomalous multiplicity | 6.5 | 6.5 | 6.5 |
| Cell | 67.085 | 110.081 | 119.779 | 90.0 | 90.0 | 90.0 |
|---|
License: CC0
Terms: Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation, as generated by the SBGrid Data Bank.
